SCHEMBL4058962

SCHEMBL4058962

CC1CC(O)(C(CC(O)[CH]Cc2cccc(C(F)(F)F)c2)C(N)=O)CC(C(N)=O)O1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.39
SMYD3 Q9H7B4 1/20 0.34
PTGER4 P35408 3/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
TBXA2R P21731 1/20 0.34
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4058787 0.79 SLC6A2 (0.34)
SCHEMBL4058965 0.79 HTR2A (0.42) EPHX1SMYD3
SCHEMBL4236693 0.76
SCHEMBL4072970 0.73 SMYD3 (0.39) EPHX1SMYD3PTGER4PTGER3PTGER2
SCHEMBL7583311 0.73 CYP2C19 (0.36) EPHX1
SCHEMBL4061953 0.70 CCR1 (0.32)
SCHEMBL4071137 0.70 EPHX1 (0.49) EPHX1
SCHEMBL4062024 0.68 EPHX1 (0.44) EPHX1PTGER4PTGER2
SCHEMBL4062297 0.67 CCR1 (0.38) PTGER4PTGER3PTGER2TBXA2R
SCHEMBL4065712 0.66 SMN1; SMN2 (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 EPHX1 805/4885SMYD3 3081/4885PTGER4 1085/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.